Vitas-M small molecule compound
8-chloro-N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL192536
SMILES COc1ccc(cc1)N1C(=S)NC2C(C1(C)Oc1c2cc(cc1)Cl)C(=O)Nc1ccc(cc1C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H26ClN3O3S MW 508.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN3O3S/c1-15-5-11-21(16(2)13-15)29-25(32)23-24-20-14-17(28)6-12-22(20)34-27(23,3)31(26(35)30-24)18-7-9-19(33-4)10-8-18/h5-14,23-24H,1-4H3,(H,29,32)(H,30,35)InChIKey
GYVZKRQUSHADFX-UHFFFAOYSA-NSynonyms
8chloroN(24dimethylphenyl)3(4methoxyphenyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CC1=CC(=C(C=C1)NC(=O)C2C3C4=C(C=CC(=C4)Cl)OC2(N(C(=S)N3)C5=CC=C(C=C5)OC)C)C
InChI=1SC27H26ClN3O3Sc11551121(16(2)1315)2925(32)2324201417(28)61222(20)3427(233)31(26(35)3024)187919(334)10818h5142324H14H3(H2932)(H3035)
MFCD15086051
ZINC000100031246
ZINC000100031247
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